ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C43H45Cl3N12O11 — CID 159867733

About ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 159867733) has the molecular formula C43H45Cl3N12O11 and a molecular weight of 1012.26 g/mol. Its IUPAC name is ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 159867733
• Molecular Formula: C43H45Cl3N12O11
• Molecular Weight: 1012.26 g/mol
• Exact Mass: 1010.24
• IUPAC Name: ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCOC(=O)C1=C(N)CN=C1.CCOC(=O)c1cnn2c(Cl)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nc12.CCOC(=O)c1cnn2c(O)cc(=O)[nH]c12
• InChI: InChI=1S/C18H19ClN4O3.C9H7Cl2N3O2.C9H9N3O4.C7H10N2O2/c1-4-26-18(24)14-10-20-23-16(9-15(19)21-17(14)23)22(2)11-12-5-7-13(25-3)8-6-12;1-2-16-9(15)5-4-12-14-7(11)3-6(10)13-8(5)14;1-2-16-9(15)5-4-10-12-7(14)3-6(13)11-8(5)12;1-2-11-7(10)5-3-9-4-6(5)8/h5-10H,4,11H2,1-3H3;3-4H,2H2,1H3;3-4,14H,2H2,1H3,(H,11,13);3H,2,4,8H2,1H3
• InChIKey: NRYDZQZSWXBTGX-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 286.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1012.26
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 159867733) is ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)C1=C(N)CN=C1.CCOC(=O)c1cnn2c(Cl)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nc12.CCOC(=O)c1cnn2c(O)cc(=O)[nH]c12.

What is the InChIKey of ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is NRYDZQZSWXBTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3.C9H7Cl2N3O2.C9H9N3O4.C7H10N2O2/c1-4-26-18(24)14-10-20-23-16(9-15(19)21-17(14)23)22(2)11-12-5-7-13(25-3)8-6-12;1-2-16-9(15)5-4-12-14-7(11)3-6(10)13-8(5)14;1-2-16-9(15)5-4-10-12-7(14)3-6(13)11-8(5)12;1-2-11-7(10)5-3-9-4-6(5)8/h5-10H,4,11H2,1-3H3;3-4H,2H2,1H3;3-4,14H,2H2,1H3,(H,11,13);3H,2,4,8H2,1H3.

What are the key properties of ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?

ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 1012.26 g/mol, XLogP of 5.17, 12 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-amino-2H-pyrrole-4-carboxylate;ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 159867733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).